Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	gamma-Thio-ATP
Molecular formula	C10H16N5O12P3S
IUPAC name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
Molecular weight	523.242
Hydrogen bond acceptor	17
Hydrogen bond donor	7
XlogP	-4.0
Synonyms	ADENOSINE-5''-DIPHOSPHATE MONOTHIOPHOSPHATE ATP-gamma-S CHEMBL131890 [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid Adenosine 5'-(3-thio)triphosphate Adenosine 5'-O-(3-thiotriphosphate) Adenosine 5'-[gamma-S]triphosphate ADENOSINE-5'-O-(1-THIOTRIPHOSPHATE), SP-ISOMER SODIUM SALT ATPgammaS 35094-46-3 Adenosine 5'-(gamma-thio)triphosphate adenosine, 5'-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- alpha-Thioadenosine triphosphate CHEBI:27575 SCHEMBL77440 AC1L9949 Adenosine 5'-(trihydrogen diphosphate), p'-anhydride with phosphorothioic acid Adenosine-5'-(3-thiotriphosphate) ATP-gammaS DB02930 (gamma-S)ATP Adenosine 5'-(3-thiotriphosphate) Adenosine 5'-O-(gamma-thiotriphosphate) adenosine 5'-[gamma-thio]triphosphate AGS BDBM50118217 phosphothiophosphoric acid-adenylate ester 5'-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine Adenosine 5'-(gamma-thiotriphosphate) Adenosine, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) ATG [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate Adenosine 5'-(.gamma.-S)triphosphate Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid (9CI) adenosine-5'-diphosphate monothiophosphate ATP.gamma.S Gamma Thio ATP 117750-47-7 Adenosine 5'-(gamma-S)triphosphate Adenosine 5'-thiotriphosphate Adenosine 5-O-(3-thiotriphophate) alpha-Thio-ATP C13742 SCHEMBL20164791 Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid [ Show all ]
Inchi Key	NLTUCYMLOPLUHL-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
PubChem CID	440317
ChEMBL	CHEMBL131890
IUPHAR	N/A
BindingDB	50118217
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
226525	P2Y purinoceptor 1	P49652	P2RY1	Meleagris gallopavo (Wild turkey)	362
226524	P2Y purinoceptor 11	Q96G91	P2RY11	Homo sapiens (Human)	374
226528	P2Y purinoceptor 12	Q9EPX4	P2ry12	Rattus norvegicus (Rat)	343
226526	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417